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Pure and Applied Chemistry

The Scientific Journal of IUPAC

Ed. by Burrows, Hugh / Stohner, Jürgen

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Volume 83, Issue 8

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Definition of the hydrogen bond (IUPAC Recommendations 2011)

Elangannan Arunan
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
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 / Gautam R. Desiraju
  • Corresponding author
  • Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India
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 / Roger A. Klein / Joanna Sadlej
  • Corresponding author
  • Department of Chemistry, Laboratory of Intermolecular Interactions, University of Warsaw, Warsaw, PL-02093, Poland
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 / Steve Scheiner
  • Corresponding author
  • Department of Chemistry and Biochemistry, 0300 Old Main Hall, Utah State University, Logan, UT 84322, USA
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 / Ibon Alkorta
  • Corresponding author
  • Medicinal Chemistry Institute, Juan de la Cierva 3, Madrid E-28006, Spain
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 / David C. Clary
  • Corresponding author
  • Department of Physical and Theoretical Chemistry, Oxford University, South Parks Road, Oxford OX1 3QZ, UK
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 / Robert H. Crabtree
  • Corresponding author
  • Department of Chemistry, 225 Prospect Street, Yale University, New Haven, CT 06511-8499 USA
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 / Joseph J. Dannenberg
  • Corresponding author
  • Department of Chemistry and Biochemistry, City University of New York, Hunter College, 695 Park Avenue, New York, NY 10065, USA
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 / Pavel Hobza
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • Institute of Organic and Biochemistry, Academy of Sciences of Czech Republic, Flemingovo nam 2, Praha CZ 16610, Czech Republic
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 / Henrik G. Kjaergaard
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark
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 / Anthony C. Legon
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • School of Chemistry, University of Bristol, Bristol BS8 1TS, UK
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 / Benedetta Mennucci
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • Department of Chemistry, University of Pisa, Via Risorgimento 35 Pisa 1-56125, Italy
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 / David J. Nesbitt
  • Corresponding author
  • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
  • Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309, USA
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Published Online: 2011-07-08 | DOI: https://doi.org/10.1351/PAC-REC-10-01-02

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A novel definition for the hydrogen bond is recommended here. It takes into account the theoretical and experimental knowledge acquired over the past century. This definition insists on some evidence. Six criteria are listed that could be used as evidence for the presence of a hydrogen bond.

Keywords: bonding; charge transfer; hydrogen bond; IUPAC Physical and Biophysical Chemistry Division; molecular interactions; noncovalent interactions

Project Year: 2004, Project Code: 2004-026-2-100

References

  • 1

    , E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci, D. J. Nesbitt. Pure Appl. Chem.83, 1619 (2011).CrossrefGoogle Scholar

About the article

Published Online: 2011-07-08

Published in Print: 2011-07-08

Citation Information: Pure and Applied Chemistry, Volume 83, Issue 8, Pages 1637–1641, ISSN (Online) 1365-3075, ISSN (Print) 0033-4545, DOI: https://doi.org/10.1351/PAC-REC-10-01-02.

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Computational and Theoretical Chemistry, 2016, Volume 1090, Page 180
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International Journal of Quantum Chemistry, 2014, Volume 114, Number 7, Page 473
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Magnetic Resonance in Chemistry, 2013, Volume 51, Number 1, Page 32
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Acta Crystallographica Section E Structure Reports Online, 2012, Volume 68, Number 4, Page o1025
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